4G2T

Crystal Structure of Streptomyces sp. SF2575 glycosyltransferase SsfS6, complexed with thymidine diphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.12715
Spacegroup name	P 61 2 2
Unit cell lengths	81.141, 81.141, 229.906
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.490 - 2.405
R-factor	0.2454
Rwork	0.244
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fzr
RMSD bond length	0.003
RMSD bond angle	0.758
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX (PHASER)
Refinement software	PHENIX (1.8_1063)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.200
Number of reflections	18150
<I/σ(I)>	5.3
Completeness [%]	99.5	93.9	100
Redundancy	15.9	11.9	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	Protein Solution (11.4 mg/ml SsfS6 protein, 50mM Tris pH 8.0) mixed in a 1:1 ratio with the well solution (1.13~1.26 M Sodium phosphate monobasic monohydrate / Potassium phosphate dibasic, pH 8.2) Cryoprotected with 100% Paratone-N, VAPOR DIFFUSION, SITTING DROP, temperature 298K